[
  {
    "molid": "mol37547",
    "smiles": "O=C(O)c1cc(Cl)ccc1N=Nc1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)c1cc(Cl)ccc1N=Nc1ccc(O)cc1",
        "std_free_energy": -3.3205673694610596,
        "relative_population": 0.9927043920521312
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1cc(Cl)ccc1N=Nc1ccc(O)cc1",
        "std_free_energy": -9.92629337310791,
        "relative_population": 0.9993678994271742
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.92999982833862,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]